N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide

C29H32FN3O4S — CID 3352580

IUPACN-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H32FN3O4S/c30-28-12-11-26(38(35,36)32-17-19-37-20-18-32)21-27(28)29(34)33(24-9-5-2-6-10-24)25-13-15-31(16-14-25)22-23-7-3-1-4-8-23/h1-12,21,25H,13-20,22H2
InChIKeyQVSCURMOJVADFO-UHFFFAOYSA-N
MW537.66 g/mol
LogP4.16
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide

N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide (PubChem CID 3352580) has the molecular formula C29H32FN3O4S and a molecular weight of 537.66 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide
PubChem CID3352580
Molecular FormulaC29H32FN3O4S
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H32FN3O4S/c30-28-12-11-26(38(35,36)32-17-19-37-20-18-32)21-27(28)29(34)33(24-9-5-2-6-10-24)25-13-15-31(16-14-25)22-23-7-3-1-4-8-23/h1-12,21,25H,13-20,22H2
InChIKeyQVSCURMOJVADFO-UHFFFAOYSA-N
XLogP4.16
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
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N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
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N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
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CID 46048024
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide (CID 3352580) is N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The InChIKey is QVSCURMOJVADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O4S/c30-28-12-11-26(38(35,36)32-17-19-37-20-18-32)21-27(28)29(34)33(24-9-5-2-6-10-24)25-13-15-31(16-14-25)22-23-7-3-1-4-8-23/h1-12,21,25H,13-20,22H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide?
N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide has a molecular weight of 537.66 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide is sourced from PubChem (CID 3352580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).